Abstract
The structures and the nonbonded intermolecular interactions of the endohedral and exohedral 4Å-diameter carbon nanotubenoble gas clusters, NG@CNT (NG = He, Ne, Ar, Kr, and Xe) are evaluated and calculated using the atom-atom potential method. The complexing energies are determined with a Lennard-Jones model. Complexing energies are significantly dependent on azimuthal angle. Endohedral complexes are more stable; consequently, noble gases can be accommodated into 4 Å diameter carbon nanotubes. While slightly larger atoms Ar, Kr, and Xe atoms are more stable.
Keywords: Carbon nanotube, Leonard-Jones model, Complexing energy
Current Nanoscience
Title: Complexing Energies and Angular Translation of Small Carbon Nanotube-Noble Gas Clusters
Volume: 4 Issue: 1
Author(s): Amirhasan Nourbakhsh
Affiliation:
Keywords: Carbon nanotube, Leonard-Jones model, Complexing energy
Abstract: The structures and the nonbonded intermolecular interactions of the endohedral and exohedral 4Å-diameter carbon nanotubenoble gas clusters, NG@CNT (NG = He, Ne, Ar, Kr, and Xe) are evaluated and calculated using the atom-atom potential method. The complexing energies are determined with a Lennard-Jones model. Complexing energies are significantly dependent on azimuthal angle. Endohedral complexes are more stable; consequently, noble gases can be accommodated into 4 Å diameter carbon nanotubes. While slightly larger atoms Ar, Kr, and Xe atoms are more stable.
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Cite this article as:
Nourbakhsh Amirhasan, Complexing Energies and Angular Translation of Small Carbon Nanotube-Noble Gas Clusters, Current Nanoscience 2008; 4 (1) . https://dx.doi.org/10.2174/157341308783591744
DOI https://dx.doi.org/10.2174/157341308783591744 |
Print ISSN 1573-4137 |
Publisher Name Bentham Science Publisher |
Online ISSN 1875-6786 |
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